SCHEMBL6541692

SCHEMBL6541692

O=C1CN(Cc2ccccc2)c2cc(-c3cccc(Cl)c3)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
PGR P06401 11/20 0.51
KDM4E B2RXH2 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 1/20 0.44
GRM2 Q14416 1/20 0.44
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1884654 0.83 CYP11B1 (0.65) EPHX2HDAC2HDAC8HDAC6GRM2
SCHEMBL6540315 0.81 PGR (0.49) PGRCYP11B1CYP11B2
SCHEMBL6541718 0.79 EPHX2 (0.70) EPHX2KDM4EHDAC2HDAC8HDAC6
SCHEMBL7539120 0.79 CYP11B1 (0.65) PGRHDAC6CYP11B1CYP11B2
SCHEMBL27496665 0.78 PGR (0.56) PGRKDM4EKMT2ACYP11B1CYP11B2
SCHEMBL24200101 0.78 EPHX2 (1.00) EPHX2KDM4EHDAC2HDAC8HDAC6
SCHEMBL29778121 0.78 EPHX2 (1.00) EPHX2KDM4EHDAC2HDAC8HDAC6
SCHEMBL17798058 0.77 EPHX2 (0.56) EPHX2KDM4EHDAC2HDAC8HDAC6
SCHEMBL29920528 0.77 EPHX2 (0.56) EPHX2KDM4EHDAC2HDAC8HDAC6
SCHEMBL6541572 0.76 PGR (0.53) PGRCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794373-B2 ADMINISTERING TO A FEMALE OF CHILD BEARING AGE OVER A PERIOD OF 28 CONSECUTIVE DAYS A FIRST PHASE OF FROM 18 TO 21 DAILY DOSAGE UNITS OF A PROGESTATIONAL AGENT, AND A SECOND PHASE OF FROM 1 TO 7 DAILY DOSAGE UNITS OF AN ANTIPROGESTIN AGENT WYETH 2004-09-21 US disclosed
US-20020151531-A1 Contraceptive methods using benzimidazolones LIGAND PHARMACEUTICALS INCORPORATED 2002-10-17 US disclosed
US-20020115853-A1 Benzimidazolones and analogues WYETH 2002-08-22 US disclosed
US-6423699-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-07-23 US disclosed
US-6380235-B1 USEFUL AS PROGESTERONE RECEPTOR AGONISTS AND ANTAGONISTS, USED FOR CONTRACEPTION, IN THERAPY OF FIBROIDS, ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER, AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 EPHX2 3634/4885PGR 1/4885KDM4E 919/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 EPHX2 3550/4885PGR 1/4885KDM4E 1098/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.